| 1 |
Visualization of Electron Paramagnetic Resonance Hyperfine Structure Coupling Pathways
Malkin VG, Malkina OL, Zhidomirov GM
Journal of Physical Chemistry A, 121(18), 3580, 2017 |
| 2 |
Visualization of the four-component g-tensor density as a three-dimensional function
Ashera JR, Malkin VG, Malkina OL
Chemical Physics Letters, 636, 46, 2015 |
| 3 |
Four-Component Relativistic Density Functional Theory Calculations of NMR Shielding Tensors for Paramagnetic Systems
Komorovsky S, Repisky M, Ruud K, Malkina OL, Malkin VG
Journal of Physical Chemistry A, 117(51), 14209, 2013 |
| 4 |
Relativistic four-component calculations of electronic g-tensors in the matrix Dirac-Kohn-Sham framework
Repisky M, Komorovsky S, Malkin E, Malkina OL, Malkin VG
Chemical Physics Letters, 488(1-3), 94, 2010 |
| 5 |
Interpretation of Indirect Nuclear Spin-Spin Couplings in Isomers of Adenine: Novel Approach to Analyze Coupling Electron Deformation Density Using Localized Molecular Orbitals
Marek R, Kristkova A, Malinakova K, Tousek J, Marek J, Hocek M, Malkina OL, Malkin VG
Journal of Physical Chemistry A, 114(24), 6689, 2010 |
| 6 |
Quantum chemical investigation of hyperfine coupling constants on first coordination sphere water molecule of gadolinium(III) aqua complexes
Yazyev OV, Helm L, Malkin VG, Malkina OL
Journal of Physical Chemistry A, 109(48), 10997, 2005 |
| 7 |
Scalar relativistic calculations of hyperfine coupling tensors using the Douglas-Kroll-Hess method
Malkin I, Malkina OL, Malkin VG, Kaupp M
Chemical Physics Letters, 396(4-6), 268, 2004 |
| 8 |
g tensor and spin density of the modified tyrosyl radical in galactose oxidase: A density functional study
Kaupp M, Gress T, Reviakine R, Malkina OL, Malkin VG
Journal of Physical Chemistry B, 107(1), 331, 2003 |
| 9 |
Relativistic calculations of electric field gradients using the Douglas-Kroll method
Malkin I, Malkina OL, Malkin VG
Chemical Physics Letters, 361(3-4), 231, 2002 |
| 10 |
Density functional calculations of electronic g-tensors for semiquinone radical anions. The role of hydrogen bonding and substituent effects
Kaupp M, Remenyi C, Vaara J, Malkina OL, Malkin VG
Journal of the American Chemical Society, 124(11), 2709, 2002 |
